1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene

C33H28 — CID 14903538

IUPAC1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene
SMILESCC12c3ccccc3C3(C)c4ccccc4C4(C)c5ccccc5C(C)(c5ccccc51)C234
InChIInChI=1S/C33H28/c1-29-21-13-5-7-15-23(21)30(2)25-17-9-11-19-27(25)32(4)28-20-12-10-18-26(28)31(3,33(29,30)32)24-16-8-6-14-22(24)29/h5-20H,1-4H3
InChIKeyPBHJYFPAGPJCBC-UHFFFAOYSA-N
MW424.59 g/mol
LogP7.25
Rot. Bonds

About 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene

1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene (PubChem CID 14903538) has the molecular formula C33H28 and a molecular weight of 424.59 g/mol. Its IUPAC name is 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene.

Molecular Properties

Compound Name1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene
PubChem CID14903538
Molecular FormulaC33H28
Molecular Weight424.59 g/mol
Exact Mass424.22
IUPAC Name1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene
SMILESCC12c3ccccc3C3(C)c4ccccc4C4(C)c5ccccc5C(C)(c5ccccc51)C234
InChIInChI=1S/C33H28/c1-29-21-13-5-7-15-23(21)30(2)25-17-9-11-19-27(25)32(4)28-20-12-10-18-26(28)31(3,33(29,30)32)24-16-8-6-14-22(24)29/h5-20H,1-4H3
InChIKeyPBHJYFPAGPJCBC-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene with MolForge

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Related Compounds

9,9-Diphenylfluorene
CID 413569
9,9'-Bifluorene
CID 137063
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
2,2'':7'',2''''-Ter-9,9'-spirobi(9H-fluorene)
CID 53384287
9,9'-Spirobi(9H-fluorene)
CID 135975
1~9~,1~9~,2~9~,2~9~,3~9~,3~9~-Hexamethyl-1~9~H,2~9~H,3~9~H-1~2~,2~2~:2~7~,3~2~-terfluorene
CID 53423919
9-[2-(9H-Fluoren-9-yl)ethyl]-9H-fluorene
CID 601495
Tetramethyl tribenzocentrotriquinacene
CID 629435
1-Methyl-1,3,3-triphenylindane
CID 631360
9,9'-Dimethyl-9H,9'H-[9,9]bifluorenyl
CID 6424844
22-Methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
CID 10957370
Nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene
CID 11211803

Frequently Asked Questions

What is the IUPAC name of 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene?
The IUPAC name of 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene (CID 14903538) is 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene.
What is the SMILES notation for 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene?
The canonical SMILES for 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene is CC12c3ccccc3C3(C)c4ccccc4C4(C)c5ccccc5C(C)(c5ccccc51)C234.
What is the InChIKey of 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene?
The InChIKey is PBHJYFPAGPJCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28/c1-29-21-13-5-7-15-23(21)30(2)25-17-9-11-19-27(25)32(4)28-20-12-10-18-26(28)31(3,33(29,30)32)24-16-8-6-14-22(24)29/h5-20H,1-4H3.
What are the key properties of 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene?
1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene has a molecular weight of 424.59 g/mol, XLogP of 7.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene is sourced from PubChem (CID 14903538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).